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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:16092 - isoquinoline
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ChEBI Name
isoquinoline
ChEBI ID
CHEBI:16092
Definition
An
ortho
-fused heteroarene that is a benzopyridine in which the N atom not directly attached to the benzene ring.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:43484, CHEBI:6051, CHEBI:14479, CHEBI:24920
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Formula
C9H7N
Net Charge
0
Average Mass
129.15860
Monoisotopic Mass
129.05785
InChI
InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
InChIKey
AWJUIBRHMBBTKR-UHFFFAOYSA-N
SMILES
c1ccc2cnccc2c1
ChEBI Ontology
Outgoing
isoquinoline (
CHEBI:16092
)
is a
ortho
-fused heteroarene (
CHEBI:52362
)
isoquinoline (
CHEBI:16092
)
is a
azaarene (
CHEBI:50893
)
isoquinoline (
CHEBI:16092
)
is a
isoquinolines (
CHEBI:24922
)
isoquinoline (
CHEBI:16092
)
is a
mancude organic heterobicyclic parent (
CHEBI:35570
)
Incoming
perfluoro-
N
-methyldecahydroisoquinoline (
CHEBI:38859
)
has parent hydride
isoquinoline (
CHEBI:16092
)
IUPAC Name
isoquinoline
Synonyms
Sources
2-benzazine
ChEBI
2-Benzazine
KEGG COMPOUND
Benzo[c]pyridine
KEGG COMPOUND
Isochinolin
NIST Chemistry WebBook
Isoquinoline
KEGG COMPOUND
ISOQUINOLINE
PDBeChem
isoquinoline
UniProt
Manual Xrefs
Databases
C06323
KEGG COMPOUND
DB04329
DrugBank
HMDB0034244
HMDB
Isoquinoline
Wikipedia
ISOQUINOLINE
MetaCyc
ISQ
PDBeChem
View more database links
Registry Numbers
Types
Sources
107549
Beilstein Registry Number
Beilstein
107549
Reaxys Registry Number
Reaxys
119-65-3
CAS Registry Number
KEGG COMPOUND
119-65-3
CAS Registry Number
ChemIDplus
119-65-3
CAS Registry Number
NIST Chemistry WebBook
3676
Gmelin Registry Number
Gmelin
Last Modified
07 July 2015